4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole

C9H10F3NS — CID 123848288

IUPAC4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCC=C(C)c1nc(C(F)(F)F)sc1C
InChIInChI=1S/C9H10F3NS/c1-4-5(2)7-6(3)14-8(13-7)9(10,11)12/h4H,1-3H3
InChIKeyYFKZDYYKIRUKMN-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.89
Rot. Bonds1

About 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole

4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 123848288) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID123848288
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCC=C(C)c1nc(C(F)(F)F)sc1C
InChIInChI=1S/C9H10F3NS/c1-4-5(2)7-6(3)14-8(13-7)9(10,11)12/h4H,1-3H3
InChIKeyYFKZDYYKIRUKMN-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201052
5-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201053
5-(3-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201079
4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 142516310
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 145509630
2-Methyl-6-(trifluoromethyl)-6,7-dihydro-1,3-benzothiazole
CID 148134851
4,5-dimethyl-2-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,3-thiazole
CID 155216926
4,5-dimethyl-2-[(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]-1,3-thiazole
CID 155216927
5-(4,5-Difluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 163831930
5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 163878476
2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium
CID 169241255
2-(difluoromethyl)-4-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]-1,3-thiazole
CID 170768907

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole (CID 123848288) is 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole is CC=C(C)c1nc(C(F)(F)F)sc1C.
What is the InChIKey of 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YFKZDYYKIRUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-4-5(2)7-6(3)14-8(13-7)9(10,11)12/h4H,1-3H3.
What are the key properties of 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole?
4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 221.25 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 123848288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).